Geometry & MOs

Info

ID:	262091
PubChem CID:	103269645
Reduced:	O3N4C12H20 (1)
Stoich.:	A3B4C12D20 (1)
Weight, g/mol:	301.04259
ΔH_f, kcal/mol:	-42.75
Dipole, Da:	5.38
IP(EA), eV:	-9.22(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1[N+](=O)[O-])NCC2CCC(C2)O)C

DOS

IR

Vibrations